SCHEMBL14635754

SCHEMBL14635754

CCc1nc(N)nc(-c2cccc(C#N)c2)c1C#Cc1cnc(C)c(NS(=O)(=O)c2ccc(F)cc2F)c1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.52
PIK3C3 Q8NEB9 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14649534 0.94 PIK3CA (0.45) PIK3CAPIK3C3
SCHEMBL14635352 0.90 PIK3CA (0.56) PIK3CAPIK3C3
SCHEMBL14652530 0.88 PIK3CA (0.50) PIK3CAPIK3C3
SCHEMBL14635330 0.88 PIK3CA (0.52) PIK3CAPIK3C3
SCHEMBL14635455 0.88 PIK3CA (0.52) PIK3CAPIK3C3
SCHEMBL14635106 0.88 PIK3CA (0.53) PIK3CAPIK3C3
SCHEMBL14649529 0.84 PIK3CA (0.49) PIK3CAPIK3C3
SCHEMBL14635008 0.83 PIK3CA (0.59) PIK3CA
SCHEMBL14649563 0.82 PIK3CA (0.45) PIK3CAPIK3C3
SCHEMBL14649554 0.82 PIK3CA (0.48) PIK3CAPIK3C3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2668178-B1 NEW 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INT (DE) 2016-01-20 EP claimed
US-8466162-B2 5-alkynyl-pyridines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-18 US claimed
US-20130023533-A1 NEW 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-24 US claimed
EP-2668178-B1 NEW 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INT (DE) 2016-01-20 EP disclosed
EP-2668178-B1 NEW 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INT (DE) 2016-01-20 EP disclosed
US-8466162-B2 5-alkynyl-pyridines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-18 US disclosed
US-8466162-B2 5-alkynyl-pyridines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-18 US disclosed
US-8466162-B2 5-alkynyl-pyridines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-18 US disclosed
US-20130023533-A1 NEW 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-24 US disclosed
US-20130023533-A1 NEW 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130023533-A1 NEW 5-ALKYNYL-PYRIDINES PIK3CA, MKI67, PIK3CD PIK3CA 1/4885PIK3C3 129/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.